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940106-84-3 | (E)-4-[5-(Butyrylamino)-2-chloroanilino]-4-oxo-2-butenoic acid
CAS No: 940106-84-3 Catalog No: AG01FOC8 MDL No:
Product Description
Catalog Number:
AG01FOC8
Chemical Name:
(E)-4-[5-(Butyrylamino)-2-chloroanilino]-4-oxo-2-butenoic acid
CAS Number:
940106-84-3
IUPAC Name:
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H15ClN2O4/c1-2-3-12(18)16-9-4-5-10(15)11(8-9)17-13(19)6-7-14(20)21/h4-8H,2-3H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChI Key:
XKQQOMBALSFWCE-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.734g/mol
Monoisotopic Mass:
310.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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